(E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C20H21F3N2O2 — CID 7972754

IUPAC(E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(C(F)(F)F)c1)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)16-6-3-5-15(13-16)8-9-19(26)24-14-17(18-7-4-12-27-18)25-10-1-2-11-25/h3-9,12-13,17H,1-2,10-11,14H2,(H,24,26)/b9-8+/t17-/m0/s1
InChIKeyGFNQKFXMEWSBIY-IJDCCNJMSA-N
MW378.39 g/mol
LogP4.26
Rot. Bonds6

About (E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 7972754) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is (E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID7972754
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name(E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(C(F)(F)F)c1)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)16-6-3-5-15(13-16)8-9-19(26)24-14-17(18-7-4-12-27-18)25-10-1-2-11-25/h3-9,12-13,17H,1-2,10-11,14H2,(H,24,26)/b9-8+/t17-/m0/s1
InChIKeyGFNQKFXMEWSBIY-IJDCCNJMSA-N
XLogP4.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 51162669
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 2532711
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide
CID 51336080
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55330425
(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-nitrophenyl)prop-2-enamide
CID 51162670
(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 42889429
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111008175
(E)-3-(5-bromo-2-methoxyphenyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide
CID 37226287
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 4807708
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 63789729
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-2-phenylpropanamide
CID 37171547
(E)-3-(2-chlorophenyl)-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide
CID 124760652

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 7972754) is (E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is O=C(/C=C/c1cccc(C(F)(F)F)c1)NC[C@@H](c1ccco1)N1CCCC1.
What is the InChIKey of (E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is GFNQKFXMEWSBIY-IJDCCNJMSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-20(22,23)16-6-3-5-15(13-16)8-9-19(26)24-14-17(18-7-4-12-27-18)25-10-1-2-11-25/h3-9,12-13,17H,1-2,10-11,14H2,(H,24,26)/b9-8+/t17-/m0/s1.
What are the key properties of (E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 378.39 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 7972754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).